2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C17H15ClF3N5 MolecularWeight: 381.78271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H15ClF3N5/c18-14-9-13(17(19,20)21)11-24-16(14)26-6-2-5-25(7-8-26)15-12(10-22)3-1-4-23-15/h1,3-4,9,11H,2,5-8H2